N,3-dimethyl-N-propan-2-ylbutan-1-amine;N,4-di(propan-2-yl)cyclohexan-1-amine;1,3-di(propan-2-yl)piperidine;1,4-di(propan-2-yl)piperidine;(3S)-1,3-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)pyrrolidine;3-methyl-N-propan-2-ylbutan-1-amine;(3S)-3-methyl-1-propan-2-ylpiperidine

C81H174N8 — CID 158162311

IUPACN,3-dimethyl-N-propan-2-ylbutan-1-amine;N,4-di(propan-2-yl)cyclohexan-1-amine;1,3-di(propan-2-yl)piperidine;1,4-di(propan-2-yl)piperidine;(3S)-1,3-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)pyrrolidine;3-methyl-N-propan-2-ylbutan-1-amine;(3S)-3-methyl-1-propan-2-ylpiperidine
SMILESCC(C)C1CCCN(C(C)C)C1.CC(C)C1CCCN(C(C)C)C1.CC(C)C1CCN(C(C)C)C1.CC(C)C1CCN(C(C)C)CC1.CC(C)CCN(C)C(C)C.CC(C)CCNC(C)C.CC(C)N1CCC[C@H](C)C1.CC(C)NC1CCC(C(C)C)CC1
InChIInChI=1S/C12H25N.3C11H23N.C10H21N.C9H19N.C9H21N.C8H19N/c1-9(2)11-5-7-12(8-6-11)13-10(3)4;1-9(2)11-5-7-12(8-6-11)10(3)4;2*1-9(2)11-6-5-7-12(8-11)10(3)4;1-8(2)10-5-6-11(7-10)9(3)4;1-8(2)10-6-4-5-9(3)7-10;1-8(2)6-7-10(5)9(3)4;1-7(2)5-6-9-8(3)4/h9-13H,5-8H2,1-4H3;3*9-11H,5-8H2,1-4H3;8-10H,5-7H2,1-4H3;8-9H,4-7H2,1-3H3;8-9H,6-7H2,1-5H3;7-9H,5-6H2,1-4H3/t;;;;;9-;;/m.....0../s1
InChIKeyFWKOWXOKRQIQNK-PPQWPVJYSA-N
MW1260.34 g/mol
LogP20.39
Rot. Bonds20

About N,3-dimethyl-N-propan-2-ylbutan-1-amine;N,4-di(propan-2-yl)cyclohexan-1-amine;1,3-di(propan-2-yl)piperidine;1,4-di(propan-2-yl)piperidine;(3S)-1,3-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)pyrrolidine;3-methyl-N-propan-2-ylbutan-1-amine;(3S)-3-methyl-1-propan-2-ylpiperidine

N,3-dimethyl-N-propan-2-ylbutan-1-amine;N,4-di(propan-2-yl)cyclohexan-1-amine;1,3-di(propan-2-yl)piperidine;1,4-di(propan-2-yl)piperidine;(3S)-1,3-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)pyrrolidine;3-methyl-N-propan-2-ylbutan-1-amine;(3S)-3-methyl-1-propan-2-ylpiperidine (PubChem CID 158162311) has the molecular formula C81H174N8 and a molecular weight of 1260.34 g/mol. Its IUPAC name is N,3-dimethyl-N-propan-2-ylbutan-1-amine;N,4-di(propan-2-yl)cyclohexan-1-amine;1,3-di(propan-2-yl)piperidine;1,4-di(propan-2-yl)piperidine;(3S)-1,3-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)pyrrolidine;3-methyl-N-propan-2-ylbutan-1-amine;(3S)-3-methyl-1-propan-2-ylpiperidine.

Molecular Properties

Compound NameN,3-dimethyl-N-propan-2-ylbutan-1-amine;N,4-di(propan-2-yl)cyclohexan-1-amine;1,3-di(propan-2-yl)piperidine;1,4-di(propan-2-yl)piperidine;(3S)-1,3-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)pyrrolidine;3-methyl-N-propan-2-ylbutan-1-amine;(3S)-3-methyl-1-propan-2-ylpiperidine
PubChem CID158162311
Molecular FormulaC81H174N8
Molecular Weight1260.34 g/mol
Exact Mass1259.39
IUPAC NameN,3-dimethyl-N-propan-2-ylbutan-1-amine;N,4-di(propan-2-yl)cyclohexan-1-amine;1,3-di(propan-2-yl)piperidine;1,4-di(propan-2-yl)piperidine;(3S)-1,3-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)pyrrolidine;3-methyl-N-propan-2-ylbutan-1-amine;(3S)-3-methyl-1-propan-2-ylpiperidine
SMILESCC(C)C1CCCN(C(C)C)C1.CC(C)C1CCCN(C(C)C)C1.CC(C)C1CCN(C(C)C)C1.CC(C)C1CCN(C(C)C)CC1.CC(C)CCN(C)C(C)C.CC(C)CCNC(C)C.CC(C)N1CCC[C@H](C)C1.CC(C)NC1CCC(C(C)C)CC1
InChIInChI=1S/C12H25N.3C11H23N.C10H21N.C9H19N.C9H21N.C8H19N/c1-9(2)11-5-7-12(8-6-11)13-10(3)4;1-9(2)11-5-7-12(8-6-11)10(3)4;2*1-9(2)11-6-5-7-12(8-11)10(3)4;1-8(2)10-5-6-11(7-10)9(3)4;1-8(2)10-6-4-5-9(3)7-10;1-8(2)6-7-10(5)9(3)4;1-7(2)5-6-9-8(3)4/h9-13H,5-8H2,1-4H3;3*9-11H,5-8H2,1-4H3;8-10H,5-7H2,1-4H3;8-9H,4-7H2,1-3H3;8-9H,6-7H2,1-5H3;7-9H,5-6H2,1-4H3/t;;;;;9-;;/m.....0../s1
InChIKeyFWKOWXOKRQIQNK-PPQWPVJYSA-N
XLogP20.39
TPSA43.50 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds20
Heavy Atoms89
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001260.34
LogP ≤ 520.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N,3-dimethyl-N-propan-2-ylbutan-1-amine;N,4-di(propan-2-yl)cyclohexan-1-amine;1,3-di(propan-2-yl)piperidine;1,4-di(propan-2-yl)piperidine;(3S)-1,3-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)pyrrolidine;3-methyl-N-propan-2-ylbutan-1-amine;(3S)-3-methyl-1-propan-2-ylpiperidine with MolForge

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Launch Full Analysis

Related Compounds

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N,N,1,1-tetrakis(2,2,6,6-tetramethylpiperidin-4-yl)hexane-1,6-diamine
CID 21997325
N,N',1,1-tetrakis(2,2,6,6-tetramethylpiperidin-4-yl)hexane-1,6-diamine
CID 23218484
2,2,3,4-Tetrakis(1-ethylpiperidin-4-yl)-3-[1-(2-methylpropyl)piperidin-4-yl]-5-piperidin-4-yl-5-(2-piperidin-1-ylethyl)-1-propan-2-ylpiperidine
CID 91801630
3-Ethyl-5-(8-propan-2-yl-2,8-diazaspiro[4.5]decan-6-yl)-3,9-diazaspiro[5.5]undecane
CID 126748039
(2S,5S)-2-methyl-5-[2-[(3S,6S)-3-methyl-2-azabicyclo[2.2.2]octan-6-yl]ethyl]-1-azabicyclo[2.2.2]octane
CID 138667849
4-[[4-[(2R)-1-[[3-[[4-[3-[[3-[[4-[2-[[4-[(3-ethylpyrrolidin-1-yl)methyl]cyclohexyl]amino]ethyl]piperidin-1-yl]methyl]cyclobutyl]amino]propyl]piperidin-1-yl]methyl]cyclopentyl]amino]propan-2-yl]piperidin-1-yl]methyl]-N-methylcyclohexan-1-amine
CID 155331379
(3S)-1-tert-butyl-3-methylpiperidine;N,3-dimethyl-N-propan-2-ylbutan-1-amine;N,4-di(propan-2-yl)cyclohexan-1-amine;1,3-di(propan-2-yl)piperidine;1,4-di(propan-2-yl)piperidine;(3S)-1,3-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)pyrrolidine;3-methyl-N-propan-2-ylbutan-1-amine
CID 157084667
(2S)-2-(2,2-dimethylpropyl)piperidine;(3R)-3-(2,2-dimethylpropyl)pyrrolidine;ethane;(3R)-3-methyl-1-azabicyclo[2.2.2]octane;(3R)-3-methylpiperidine;3-methylpyrrolidine
CID 157227249
N,3-dimethyl-N-propan-2-ylbutan-1-amine;N,4-di(propan-2-yl)cyclohexan-1-amine;1,3-di(propan-2-yl)piperidine;bis(1,4-di(propan-2-yl)piperidine);(3S)-1,3-di(propan-2-yl)piperidine;1,2-di(propan-2-yl)pyrrolidine;1,3-di(propan-2-yl)pyrrolidine;3-methyl-N-propan-2-ylbutan-1-amine
CID 157259153
N,3-dimethyl-N-propan-2-ylbutan-1-amine;N,4-di(propan-2-yl)cyclohexan-1-amine;1,4-di(propan-2-yl)cyclohexane;1,3-di(propan-2-yl)piperidine;(3S)-1,3-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)pyrrolidine;3-methyl-N-propan-2-ylbutan-1-amine
CID 157276706
(3S)-1-tert-butyl-3-methylpiperidine;N,3-dimethyl-N-propan-2-ylbutan-1-amine;N,4-di(propan-2-yl)cyclohexan-1-amine;1,3-di(propan-2-yl)piperidine;bis(1,4-di(propan-2-yl)piperidine);(3S)-1,3-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)pyrrolidine;3-methyl-N-propan-2-ylbutan-1-amine;2-(2-methylpropyl)-1-propan-2-ylpyrrolidine
CID 157426798

Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-N-propan-2-ylbutan-1-amine;N,4-di(propan-2-yl)cyclohexan-1-amine;1,3-di(propan-2-yl)piperidine;1,4-di(propan-2-yl)piperidine;(3S)-1,3-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)pyrrolidine;3-methyl-N-propan-2-ylbutan-1-amine;(3S)-3-methyl-1-propan-2-ylpiperidine?
The IUPAC name of N,3-dimethyl-N-propan-2-ylbutan-1-amine;N,4-di(propan-2-yl)cyclohexan-1-amine;1,3-di(propan-2-yl)piperidine;1,4-di(propan-2-yl)piperidine;(3S)-1,3-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)pyrrolidine;3-methyl-N-propan-2-ylbutan-1-amine;(3S)-3-methyl-1-propan-2-ylpiperidine (CID 158162311) is N,3-dimethyl-N-propan-2-ylbutan-1-amine;N,4-di(propan-2-yl)cyclohexan-1-amine;1,3-di(propan-2-yl)piperidine;1,4-di(propan-2-yl)piperidine;(3S)-1,3-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)pyrrolidine;3-methyl-N-propan-2-ylbutan-1-amine;(3S)-3-methyl-1-propan-2-ylpiperidine.
What is the SMILES notation for N,3-dimethyl-N-propan-2-ylbutan-1-amine;N,4-di(propan-2-yl)cyclohexan-1-amine;1,3-di(propan-2-yl)piperidine;1,4-di(propan-2-yl)piperidine;(3S)-1,3-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)pyrrolidine;3-methyl-N-propan-2-ylbutan-1-amine;(3S)-3-methyl-1-propan-2-ylpiperidine?
The canonical SMILES for N,3-dimethyl-N-propan-2-ylbutan-1-amine;N,4-di(propan-2-yl)cyclohexan-1-amine;1,3-di(propan-2-yl)piperidine;1,4-di(propan-2-yl)piperidine;(3S)-1,3-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)pyrrolidine;3-methyl-N-propan-2-ylbutan-1-amine;(3S)-3-methyl-1-propan-2-ylpiperidine is CC(C)C1CCCN(C(C)C)C1.CC(C)C1CCCN(C(C)C)C1.CC(C)C1CCN(C(C)C)C1.CC(C)C1CCN(C(C)C)CC1.CC(C)CCN(C)C(C)C.CC(C)CCNC(C)C.CC(C)N1CCC[C@H](C)C1.CC(C)NC1CCC(C(C)C)CC1.
What is the InChIKey of N,3-dimethyl-N-propan-2-ylbutan-1-amine;N,4-di(propan-2-yl)cyclohexan-1-amine;1,3-di(propan-2-yl)piperidine;1,4-di(propan-2-yl)piperidine;(3S)-1,3-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)pyrrolidine;3-methyl-N-propan-2-ylbutan-1-amine;(3S)-3-methyl-1-propan-2-ylpiperidine?
The InChIKey is FWKOWXOKRQIQNK-PPQWPVJYSA-N. The full InChI is InChI=1S/C12H25N.3C11H23N.C10H21N.C9H19N.C9H21N.C8H19N/c1-9(2)11-5-7-12(8-6-11)13-10(3)4;1-9(2)11-5-7-12(8-6-11)10(3)4;2*1-9(2)11-6-5-7-12(8-11)10(3)4;1-8(2)10-5-6-11(7-10)9(3)4;1-8(2)10-6-4-5-9(3)7-10;1-8(2)6-7-10(5)9(3)4;1-7(2)5-6-9-8(3)4/h9-13H,5-8H2,1-4H3;3*9-11H,5-8H2,1-4H3;8-10H,5-7H2,1-4H3;8-9H,4-7H2,1-3H3;8-9H,6-7H2,1-5H3;7-9H,5-6H2,1-4H3/t;;;;;9-;;/m.....0../s1.
What are the key properties of N,3-dimethyl-N-propan-2-ylbutan-1-amine;N,4-di(propan-2-yl)cyclohexan-1-amine;1,3-di(propan-2-yl)piperidine;1,4-di(propan-2-yl)piperidine;(3S)-1,3-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)pyrrolidine;3-methyl-N-propan-2-ylbutan-1-amine;(3S)-3-methyl-1-propan-2-ylpiperidine?
N,3-dimethyl-N-propan-2-ylbutan-1-amine;N,4-di(propan-2-yl)cyclohexan-1-amine;1,3-di(propan-2-yl)piperidine;1,4-di(propan-2-yl)piperidine;(3S)-1,3-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)pyrrolidine;3-methyl-N-propan-2-ylbutan-1-amine;(3S)-3-methyl-1-propan-2-ylpiperidine has a molecular weight of 1260.34 g/mol, XLogP of 20.39, 20 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-N-propan-2-ylbutan-1-amine;N,4-di(propan-2-yl)cyclohexan-1-amine;1,3-di(propan-2-yl)piperidine;1,4-di(propan-2-yl)piperidine;(3S)-1,3-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)pyrrolidine;3-methyl-N-propan-2-ylbutan-1-amine;(3S)-3-methyl-1-propan-2-ylpiperidine is sourced from PubChem (CID 158162311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).